(1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone

C29H54F3N5O — CID 129149462

IUPAC(1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
SMILESCN(CCN(CC(F)(F)F)C1CCN(C(C)(C)C)CC1)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C29H54F3N5O/c1-27(2,3)36-16-8-23(9-17-36)26(38)34-14-10-24(11-15-34)33(7)20-21-35(22-29(30,31)32)25-12-18-37(19-13-25)28(4,5)6/h23-25H,8-22H2,1-7H3
InChIKeyYIHBOASJBQHBFE-UHFFFAOYSA-N
MW545.78 g/mol
LogP4.55
Rot. Bonds7

About (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone

(1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone (PubChem CID 129149462) has the molecular formula C29H54F3N5O and a molecular weight of 545.78 g/mol. Its IUPAC name is (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
PubChem CID129149462
Molecular FormulaC29H54F3N5O
Molecular Weight545.78 g/mol
Exact Mass545.43
IUPAC Name(1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone
SMILESCN(CCN(CC(F)(F)F)C1CCN(C(C)(C)C)CC1)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C29H54F3N5O/c1-27(2,3)36-16-8-23(9-17-36)26(38)34-14-10-24(11-15-34)33(7)20-21-35(22-29(30,31)32)25-12-18-37(19-13-25)28(4,5)6/h23-25H,8-22H2,1-7H3
InChIKeyYIHBOASJBQHBFE-UHFFFAOYSA-N
XLogP4.55
TPSA33.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.78
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone (CID 129149462) is (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone is CN(CCN(CC(F)(F)F)C1CCN(C(C)(C)C)CC1)C1CCN(C(=O)C2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone?
The InChIKey is YIHBOASJBQHBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54F3N5O/c1-27(2,3)36-16-8-23(9-17-36)26(38)34-14-10-24(11-15-34)33(7)20-21-35(22-29(30,31)32)25-12-18-37(19-13-25)28(4,5)6/h23-25H,8-22H2,1-7H3.
What are the key properties of (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone?
(1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone has a molecular weight of 545.78 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpiperidin-4-yl)-[4-[2-[(1-tert-butylpiperidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethyl-methylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 129149462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).